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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 883731-61-1, (1-fluoromethyl-cyclopropyl)-methanol, [1-(fluoromethyl)cyclopropyl]methanol, Starbld0017101, Amot0379, Schembl1752414
    Molecular Formula
    C5H9FO
    Molecular Weight
    104.12  g/mol
    InChI Key
    IRFLMQHCAJMPCS-UHFFFAOYSA-N
    CAS 883731-61-1
    1 2D Structure

    CAS 883731-61-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [1-(fluoromethyl)cyclopropyl]methanol
    2.1.2 InChI
    InChI=1S/C5H9FO/c6-3-5(4-7)1-2-5/h7H,1-4H2
    2.1.3 InChI Key
    IRFLMQHCAJMPCS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1(CO)CF
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 883731-61-1

    2. (1-fluoromethyl-cyclopropyl)-methanol

    3. [1-(fluoromethyl)cyclopropyl]methanol

    4. Starbld0017101

    5. Amot0379

    6. Schembl1752414

    7. Mfcd09909934

    8. Zinc91305940

    9. Akos006313068

    10. Am806545

    11. As-32321

    12. Cs-0054281

    2.3 Create Date
    2012-01-24
    3 Chemical and Physical Properties
    Molecular Weight 104.12 g/mol
    Molecular Formula C5H9FO
    XLogP30.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass104.063743068 g/mol
    Monoisotopic Mass104.063743068 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity68.5
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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